BASIS_PRECISION (.param)

Keyword type

String

Description

This keywords specifies the precision of the basis set by choosing the level of convergence of atomic energies with respect to the plane wave cutoff energy for the pseudopotentials used in the calculation. Available options are:

If the BASIS_PRECISION is defined, the CUT_OFF_ENERGY will be equal to the highest of the cutoff energies associated with the chosen level of accuracy, for the pseudopotentials used in the calculation.

It is not possible to specify both the BASIS_PRECISION and the CUT_OFF_ENERGY in a single file.

Default

FINE

Example

BASIS_PRECISION : MEDIUM
See Also:

CUT_OFF_ENERGY
CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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